E587-0532 Screening compound: ethyl 2-[2-({1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamido]benzoate

E587-0532 Screening compound: ethyl 2-[2-({1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamido]benzoate
E587-0532 Screening compound: ethyl 2-[2-({1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E587-0532
ethyl 2-[2-({1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamido]benzoate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

E587-0532

Molecular Formula

C27H31N3O4S (C27 H31 N3 O4 S)

Compound Name

ethyl 2-[2-({1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamido]benzoate

IUPAC name

ethyl 2-[2-({1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamido]benzoate

SMILES

CCOC(c(cccc1)c1NC(CSc1cn(CC(N2CCC(C)CC2)=O)c2c1cccc2)=O)=O

InChI

InChI=1S/C27H31N3O4S/c1-3-34-27(33)20-8-4-6-10-22(20)28-25(31)18-35-24-16-30(23-11-7-5-9-21(23)24)17-26(32)29-14-12-19(2)13-15-29/h4-11,16,19H,3,12-15,17-18H2,1-2H3,(H,28,31)

InChI Key

HYSHDTMKZFCHCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05964786

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.133

Distribution Coefficient, logD

4.114

Water Solubility, LogSw

-3.84

Polar Surface Area

61.297

Acid Dissociation Constant (pKa)

8.76

Base Dissociation Constant (pKb)

3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

References: we are preparing a list of scientific research reports with E587-0532 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E587-0532?
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What is the minimum amount of E587-0532 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E587-0532
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E587-0532
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of E587-0532 available by request